4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.6569569705789746 stress="-1.9730084791413744 0.4066893495982842 -0.11479050865115555 0.4066893495982842 -2.480674990617737 -0.025934478445641927 -0.11479050865115555 -0.025934478445641927 -2.159097397747836" free_energy=-0.6569569705789746 pbc="T T T" Ni 2.85540510 0.11115480 0.11044915 15.42411290 -10.95122845 -2.73674080 Ni 1.70960170 1.31143450 2.83833517 -19.59137210 9.54049306 3.17418527 Ni 1.49088986 2.83509776 1.64041416 -10.97784250 4.59890345 -5.31646407 Ni 2.77812781 1.58383014 1.32834452 15.14510171 -3.18816807 4.87901960